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RESEARCH PRODUCT
Evaluation of multiple-scattering contribution in extended X-ray absorption fine structure for MO4 and MO6 clusters
R. GrisentiAlexei Kuzminsubject
Range (particle radiation)Angular momentumExtended X-ray absorption fine structureAbsorption edgeScatteringAb initio quantum chemistry methodsChemistryGeneral Chemical EngineeringAb initioGeneral Physics and AstronomyAtomic physicsAbsorption (electromagnetic radiation)description
Abstract We present a theoretical ab initio evaluation of the multiple-scattering contribution in the extended X-ray absorption fine structure for MO4 and MO6 clusters with M = Mg, Ca, Mn, Zn, Se, Sr, Mo, Ag, Te, Ba, Nd, Tb, W, Au or Bi. The dependence of the multiple-scattering signal on the absorber type, the photoelectron angular momentum and the local distortion is discussed. It is shown that the multiple-scattering contribution is significant in the photoelectron wave-vector range up to 6–7 A−1 and strongly depends on both the path geometry and the atomic species involved in the scattering process.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1994-12-01 | Philosophical Magazine B |